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1-(4-chlorobenzyl)-4-isonicotinoylpiperazin-1-ium

View entire compound with spectra: 1 NMR

1-(4-chlorobenzyl)-4-isonicotinoylpiperazin-1-ium
SpectraBase Compound ID KvjhTO3PcEa
InChI InChI=1S/C17H18ClN3O/c18-16-3-1-14(2-4-16)13-20-9-11-21(12-10-20)17(22)15-5-7-19-8-6-15/h1-8H,9-13H2/p+1
InChIKey MRYNSDJMTHTZEW-UHFFFAOYSA-O
Mol Weight 316.81 g/mol
Molecular Formula C17H19ClN3O
Exact Mass 316.121665 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J0I64jBCX86
Name 1-(4-chlorobenzyl)-4-isonicotinoylpiperazin-1-ium
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H18ClN3O/c18-16-3-1-14(2-4-16)13-20-9-11-21(12-10-20)17(22)15-5-7-19-8-6-15/h1-8H,9-13H2/p+1
InChIKey MRYNSDJMTHTZEW-UHFFFAOYSA-O
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13648
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9311144; UBI_ID: UBI-013651
Temperature 308 °C